Input interpretation
doxycycline hyclate
Chemical names and formulas
![formula | C_22H_25ClN_2O_8 name | doxycycline hyclate IUPAC name | [(1S, 3Z, 4aS, 11R, 11aS, 12S, 12aR)-3-(amino-hydroxy-methylidene)-4a, 6, 7, 12-tetrahydroxy-11-methyl-2, 4, 5-trioxo-11, 11a, 12, 12a-tetrahydro-1H-tetracen-1-yl]-dimethyl-azanium chloride alternate names | dossiciclina iclato | doxycycline hydrochloride mass fractions | C (carbon) 54.9% | Cl (chlorine) 7.37% | H (hydrogen) 5.24% | N (nitrogen) 5.83% | O (oxygen) 26.6%](../image_source/f81c8633a45e7cd2df059fdcaa85d23f.png)
formula | C_22H_25ClN_2O_8 name | doxycycline hyclate IUPAC name | [(1S, 3Z, 4aS, 11R, 11aS, 12S, 12aR)-3-(amino-hydroxy-methylidene)-4a, 6, 7, 12-tetrahydroxy-11-methyl-2, 4, 5-trioxo-11, 11a, 12, 12a-tetrahydro-1H-tetracen-1-yl]-dimethyl-azanium chloride alternate names | dossiciclina iclato | doxycycline hydrochloride mass fractions | C (carbon) 54.9% | Cl (chlorine) 7.37% | H (hydrogen) 5.24% | N (nitrogen) 5.83% | O (oxygen) 26.6%
Structure diagram
Structure diagram
vertex count | 33 edge count | 43 Schultz index | 9830 Wiener index | 2336 Hosoya index | 2.786×10^6 Balaban index | 1.833
Basic properties
molar mass | 480.9 g/mol solubility in water | soluble
Units
Chemical identifiers
C)O.[Cl-] InChI identifier | InChI=1/C22H24N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14, 32)19(12)29;/h4-7, 10, 14-15, 17, 25-27, 31-32H, 23H2, 1-3H3;1H/b21-13-;/t7-, 10+, 14+, 15-, 17-, 22-;/m0./s1/fC22H25N2O8.Cl/h24H;1h/q+1;-1 EU number | 234-198-7 RTECS number | QI8925000 NSC number | 633557](../image_source/c14085f3286364dad6a52fa20daa9517.png)
CAS number | 10592-13-9 Beilstein number | 4777717 PubChem CID number | 5360371 SMILES identifier | CC1C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)[NH+](C)C)O.[Cl-] InChI identifier | InChI=1/C22H24N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14, 32)19(12)29;/h4-7, 10, 14-15, 17, 25-27, 31-32H, 23H2, 1-3H3;1H/b21-13-;/t7-, 10+, 14+, 15-, 17-, 22-;/m0./s1/fC22H25N2O8.Cl/h24H;1h/q+1;-1 EU number | 234-198-7 RTECS number | QI8925000 NSC number | 633557
NFPA label
NFPA label
NFPA health rating | 1 NFPA fire rating | 0 NFPA reactivity rating | 0
Toxicity properties
RTECS classes | drug | reproductive effector